Information card for entry 4323149

Structure parameters

• Formula: C13.5 H27 Cl6 O3.5 S3 W2
• Calculated formula: C13.5 H27 Cl6 O3.5 S3 W2
• Title of publication: Syntheses, Crystal Structures, Spectroscopic Characterization, and Electrochemical Studies of the Ditungsten(III) Complexes Cl~3~W(μ-L)~3~WCl~3~ and [Cl~3~W(μ-L)~2~(μ-Cl)WCl~3~]^-^ (L = 1,4-Dithiane, 1,4-Thioxane, pms = Pentamethylene Sulfide). C-S Bond Cleavage of the Bridging Thioether(s) in Cl~3~W(μ-L)~3~WCl~3~
• Authors of publication: P. Michael Boorman; Naomi L. Langdon; Vivian J. Mozol; Masood Parvez; Glenn P. A. Yap
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 6023 - 6029
• a: 25.7603 ± 0.0003 Å
• b: 25.7603 ± 0.0003 Å
• c: 18.6771 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12394 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections: 0.1348
• Weighted residual factors for significantly intense reflections: 0.1309
• Goodness-of-fit parameter for all reflections: 1.218
• Goodness-of-fit parameter for significantly intense reflections: 1.234
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No